Detailed information for compound 1039893

Basic information

Technical information
  • TDR Targets ID: 1039893
  • Name: 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pr opylpyridine
  • MW: 310.413 | Formula: C18H18N2OS
  • H donors: 0 H acceptors: 2 LogP: 4.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nccc(c1)c1scc(n1)c1ccc(cc1)OC
  • InChi: 1S/C18H18N2OS/c1-3-4-15-11-14(9-10-19-15)18-20-17(12-22-18)13-5-7-16(21-2)8-6-13/h5-12H,3-4H2,1-2H3
  • InChiKey: UVUVXLDIFQWHBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-(4-methoxyphenyl)thiazol-2-yl]-2-propyl-pyridine
  • 4-[4-(4-methoxyphenyl)-2-thiazolyl]-2-propylpyridine
  • 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-propyl-pyridine
  • ZINC06719836

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sterol regulatory element binding transcription factor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0035 0.0456 0.1334
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0456 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 0.342 1
Schistosoma mansoni inositol monophosphatase 0.0072 0.1602 0.3078
Onchocerca volvulus 0.0051 0.0937 0.274
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0456 0.0456
Onchocerca volvulus 0.0035 0.0456 0.1334
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0072 0.1602 1
Schistosoma mansoni thyroid hormone receptor 0.013 0.3363 0.6464
Schistosoma mansoni hypothetical protein 0.011 0.2746 0.5278
Brugia malayi Inositol-1 0.0072 0.1602 0.4684
Echinococcus granulosus geminin 0.019 0.5203 0.5203
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0065 0.1369 0.1579
Loa Loa (eye worm) hypothetical protein 0.0035 0.0456 0.1334
Trichomonas vaginalis inositol monophosphatase, putative 0.0072 0.1602 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0746 0.2182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0746 0.1434
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.011 0.2746 0.2746
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0937 0.18
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0746 0.2182
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0072 0.1602 1
Echinococcus multilocularis geminin 0.019 0.5203 0.5203
Onchocerca volvulus 0.0035 0.0456 0.1334
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1095 0.3203
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0072 0.1602 1
Brugia malayi beta-lactamase 0.0035 0.0456 0.1334
Schistosoma mansoni inositol monophosphatase 0.0072 0.1602 0.3078
Schistosoma mansoni thyroid hormone receptor 0.013 0.3363 0.6464
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.624 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0072 0.1602 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0065 0.1369 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0456 0.1334
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0746 0.1434
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0456 0.1334
Loa Loa (eye worm) hypothetical protein 0.0051 0.0937 0.274
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0072 0.1602 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2942 0.8602
Loa Loa (eye worm) hypothetical protein 0.0035 0.0456 0.1334
Schistosoma mansoni hypothetical protein 0.0038 0.0553 0.1064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0746 0.0746
Loa Loa (eye worm) beta-lactamase 0.0035 0.0456 0.1334
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2942 0.8602
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0553 0.1618
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1095 0.3203
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0456 0.0877
Loa Loa (eye worm) inositol-1 0.0072 0.1602 0.4684
Echinococcus multilocularis tumor protein p63 0.0347 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0456 0.1334
Schistosoma mansoni hypothetical protein 0.019 0.5203 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0553 0.1618
Brugia malayi MH2 domain containing protein 0.0116 0.2942 0.8602
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0456 0.0877
Brugia malayi hypothetical protein 0.0132 0.342 1
Brugia malayi beta-lactamase family protein 0.0035 0.0456 0.1334
Loa Loa (eye worm) hypothetical protein 0.0056 0.1095 0.3203
Loa Loa (eye worm) hypothetical protein 0.0035 0.0456 0.1334
Brugia malayi beta-lactamase family protein 0.0035 0.0456 0.1334
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0072 0.1602 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0072 0.1602 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0072 0.1602 1
Onchocerca volvulus 0.0035 0.0456 0.1334
Echinococcus multilocularis inositol monophosphatase 1 0.0072 0.1602 0.1602
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0746 0.0746
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0456 0.1334
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0746 0.0746
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.011 0.2746 0.2746
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0746 0.0746
Onchocerca volvulus 0.0132 0.342 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1095 0.3203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0746 0.1434
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0456 0.0456
Echinococcus granulosus inositol monophosphatase 1 0.0072 0.1602 0.1602
Schistosoma mansoni hypothetical protein 0.019 0.5203 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0072 0.1602 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0072 0.1602 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.013 0.3363 0.3363

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13 uM Inhibition of SREBP2 activation expressed in CHO-K1 cells co-transfected with pSRE-Luc plasmid assessed as inhibition of luciferase expression after 20 hrs by luciferase reporter gene assay ChEMBL. 21561152
MIC=>80 (functional) = 1 ug ml-1 Antimicrobial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 assessed as growth inhibition after 5 days by microdilution method ChEMBL. 24967731

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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